4-chloro-5-(2-(2-hydroxyphenyl)-2-oxoethyl)-2-(tetrahydro-2H-pyran-2-yl)pyridazin-3(2H)-one | 1417637-18-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-chloro-5-(2-(2-hydroxyphenyl)-2-oxoethyl)-2-(tetrahydro-2H-pyran-2-yl)pyridazin-3(2H)-one
• 英文别名: 4-Chloro-5-[2-(2-hydroxyphenyl)-2-oxoethyl]-2-(oxan-2-yl)pyridazin-3-one；4-chloro-5-[2-(2-hydroxyphenyl)-2-oxoethyl]-2-(oxan-2-yl)pyridazin-3-one
• CAS: 1417637-18-3
• 化学式: C₁₇H₁₇ClN₂O₄
• 分子量: 348.786
• InChiKey: BGESLZKVQDMOQV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  24
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  79.2
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2'-羟基苯乙酮 、 4,5-二氯-2-(四氢-吡喃-2-基)-2H-吡嗪-3-酮 在 potassium carbonate 作用下， 以 二甲基亚砜 为溶剂， 反应 20.0h， 以97%的产率得到4-chloro-5-(2-(2-hydroxyphenyl)-2-oxoethyl)-2-(tetrahydro-2H-pyran-2-yl)pyridazin-3(2H)-one
  参考文献：
  名称：

  An efficient C–C bond formation reaction for the synthesis of α-arylated ketones under mild conditions

  摘要：

  A wide range of substituted alpha-arylated ketones were synthesized in moderate to excellent yields via a Truce Smiles rearrangement. The main scaffold has various applications in medical and biochemical fields. This process also provides a facile and direct method for the C-C bond formation. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2012.11.024

文献信息

• An efficient C–C bond formation reaction for the synthesis of α-arylated ketones under mild conditions
  作者：Yanli Liu、Xinhai Zhang、Ying Ma、Chen Ma

  DOI：10.1016/j.tetlet.2012.11.024

  日期：2013.1

  A wide range of substituted alpha-arylated ketones were synthesized in moderate to excellent yields via a Truce Smiles rearrangement. The main scaffold has various applications in medical and biochemical fields. This process also provides a facile and direct method for the C-C bond formation. (C) 2012 Elsevier Ltd. All rights reserved.